4-chloranyl-1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Openeye Name: 4-chloro-1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide CAS Name: 4-chloro-1-methyl-N-[1-[2-(4-morpholin-4-iumyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Traditional Name: 4-chloro-1-methyl-N-[1-(2-morpholin-4-ium-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide Formula: C18H22ClN6O2+ MolecularWeight: 389.85928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3N2CC[NH+]4CCOCC4)Cl

InChI

InChI=1S/C18H21ClN6O2/c1-23-12-13(19)16(22-23)17(26)21-18-20-14-4-2-3-5-15(14)25(18)7-6-24-8-10-27-11-9-24/h2-5,12H,6-11H2,1H3,(H,20,21,26)/p+1